(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate

C30H33FO4 — CID 70484285

IUPAC(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate
SMILESCCCC1CCC(c2ccc(-c3ccc(OC(=O)Oc4ccc(OCC)cc4)cc3)c(F)c2)CC1
InChIInChI=1S/C30H33FO4/c1-3-5-21-6-8-22(9-7-21)24-12-19-28(29(31)20-24)23-10-13-26(14-11-23)34-30(32)35-27-17-15-25(16-18-27)33-4-2/h10-22H,3-9H2,1-2H3
InChIKeyAXKRVOOYFHIOLI-UHFFFAOYSA-N
MW476.59 g/mol
LogP8.54
Rot. Bonds8

About (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate

(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate (PubChem CID 70484285) has the molecular formula C30H33FO4 and a molecular weight of 476.59 g/mol. Its IUPAC name is (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate.

Molecular Properties

Compound Name(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate
PubChem CID70484285
Molecular FormulaC30H33FO4
Molecular Weight476.59 g/mol
Exact Mass476.24
IUPAC Name(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate
SMILESCCCC1CCC(c2ccc(-c3ccc(OC(=O)Oc4ccc(OCC)cc4)cc3)c(F)c2)CC1
InChIInChI=1S/C30H33FO4/c1-3-5-21-6-8-22(9-7-21)24-12-19-28(29(31)20-24)23-10-13-26(14-11-23)34-30(32)35-27-17-15-25(16-18-27)33-4-2/h10-22H,3-9H2,1-2H3
InChIKeyAXKRVOOYFHIOLI-UHFFFAOYSA-N
XLogP8.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]phenyl] (4-propylcyclohexyl) carbonate
CID 70520736
[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] propyl carbonate
CID 70483645
1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl] octan-2-yl carbonate
CID 70520806
[4-(2-fluoro-4-propylphenyl)phenyl] (4-propylcyclohexyl) carbonate
CID 70483752
6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
CID 140923390
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
(4-propylphenyl) 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate
CID 18596409
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 70305889
(4-ethoxyphenyl) (4-propylcyclohexyl) carbonate
CID 70557421

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate?
The IUPAC name of (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate (CID 70484285) is (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate.
What is the SMILES notation for (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate?
The canonical SMILES for (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate is CCCC1CCC(c2ccc(-c3ccc(OC(=O)Oc4ccc(OCC)cc4)cc3)c(F)c2)CC1.
What is the InChIKey of (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate?
The InChIKey is AXKRVOOYFHIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FO4/c1-3-5-21-6-8-22(9-7-21)24-12-19-28(29(31)20-24)23-10-13-26(14-11-23)34-30(32)35-27-17-15-25(16-18-27)33-4-2/h10-22H,3-9H2,1-2H3.
What are the key properties of (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate?
(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate has a molecular weight of 476.59 g/mol, XLogP of 8.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate is sourced from PubChem (CID 70484285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).